Y Girard et al 2008 J. Phys.: Conf. Ser. 100 052063 doi:10.1088/1742-6596/100/5/052063
Y Girard, T Yamamoto and K Watanabe
Show affiliationsThe forces induced by a steady electric current on several atoms, viz., B, C, N, O and F, adsorbed on metallic (5,5) and semiconducting (8,0) carbon nanotubes are calculated using the Non-Equilibrium Green's Function technique combined with density functional theory. We estimate how the current-induced forces will move the atoms along the tubes and we explain these results in terms of charge transfer, modification of the electron density, and chemical bonding properties of the scattering states.
68.47.Fg Semiconductor surfaces
73.20.At Surface states, band structure, electron density of states
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Condensed matter: electrical, magnetic and optical
Issue 5 (2008)
Y Girard et al 2008 J. Phys.: Conf. Ser. 100 052063
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